Navegando por Assunto Quantitative structure-activity relationship (QSAR)

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-2D chemical drawings correlate to bioactivities: MIA-QSAR modelling of antimalarial activities of 2,5-diaminobenzophenone derivativesCormanich, Rodrigo A.; Freitas, Matheus P.; Rittner, Roberto
Out-2009Ant colony optimization as a feature selection method in QSAR modeling of anti-HIV-1 activities of 3-(3,5-Dimethylbenzyl)uracil derivatives using MLR and SVM regressionGoodarzi, Mohammad; Freitas, Matheus P.; Jensen, Richard
18-Jul-2022Computer-assisted proposition of promising aryloxyacetic acid derivatives as HPPD inhibitorsMartins, Francisco Antonio; Daré, Joyce K.; Freitas, Matheus P.
Nov-2022In silico modeling of the AHAS inhibition of an augmented series of pyrimidine herbicides and design of novel derivativesFaria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Jun-2022In silico-guided proposition of potential nematocidal and antibacterial N-(1,3,4-thiadiazol-2-yl)benzamidesLicona, Jessica S. F.; Pereira, Ingrid V.; Faria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
27-Mar-2023Influence of spatial information coding into 2D and 3D descriptors for QSAR modelling purposesDaré, Joyce Karoline
5-Set-2015Is molecular alignment an indispensable requirement in the MIA-QSAR method?Barigye, Stephen J.; Freitas, Matheus P.
2016QSAR analysis of nicotinamidic compounds and design of potential Bruton’s tyrosine kinase (Btk) inhibitorsSantos-Garcia, Letícia; Assis, Letícia C.; Daniela R. Silva; Ramalho, Teodorico C.; Cunha, Elaine Fontes Ferreira da
2023Study of two combined series of triketones with HPPD inhibitory activity by molecular modellingCapucho, L. R.; Cunha, E. F. F. da; Freitas, M. P.